2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine

C19H24FNO2 — CID 29225866

IUPAC2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CNCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H24FNO2/c1-3-12-23-18-9-6-16(13-19(18)22-2)14-21-11-10-15-4-7-17(20)8-5-15/h4-9,13,21H,3,10-12,14H2,1-2H3
InChIKeyQKFVJEDFZRGIBB-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.96
Rot. Bonds9

About 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine (PubChem CID 29225866) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
PubChem CID29225866
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CNCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H24FNO2/c1-3-12-23-18-9-6-16(13-19(18)22-2)14-21-11-10-15-4-7-17(20)8-5-15/h4-9,13,21H,3,10-12,14H2,1-2H3
InChIKeyQKFVJEDFZRGIBB-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
2-(4-chlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208437
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 111232993
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine (CID 29225866) is 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(CNCCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine?
The InChIKey is QKFVJEDFZRGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-3-12-23-18-9-6-16(13-19(18)22-2)14-21-11-10-15-4-7-17(20)8-5-15/h4-9,13,21H,3,10-12,14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine has a molecular weight of 317.40 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 29225866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).